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phenyl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

phenyl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name:phenyl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
Openeye Name:phenyl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CAS Name:phenyl-[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone
IUPAC Name:phenyl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
Traditional Name:phenyl-[4-(2,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone
Formula: C21H27N2O4+
MolecularWeight: 371.45008
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)OC)OC


Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)OC)OC


InChI

InChI=1S/C21H26N2O4/c1-25-18-14-20(27-3)19(26-2)13-17(18)15-22-9-11-23(12-10-22)21(24)16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3/p+1


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